2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride
TL;DR: 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride (CAS 134580-01-1) is a chemical compound with molecular formula C17H16Cl2N4OS2 and molecular weight 426.01425 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-bis(1H-benzimidazol-2-ylsulfanyl)propan-2-one;dihydrochloride
Also Known As: 1,3-Bis(benzimidazolyl-2-thio)propanone dihydrochloride, 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride, 1,3-bis(1H-benzimidazol-2-ylsulfanyl)propan-2-one dihydrochloride, 1,3-Bis[(1H-1,3-benzimidazol-2-yl)sulfanyl]propan-2-one--hydrogen chloride (1/2)
Technical Specifications
| Molecular Formula | C17H16Cl2N4OS2 |
| Molecular Weight | 426.01425 g/mol |
| XLogP | 4.7363 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.01425 Da |
| Heavy Atoms | 26 |
| Complexity | 414.0 |
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCC(=O)CSC3=NC4=CC=CC=C4N3.Cl.Cl |
| InChIKey | OZYPEBSQWHOSSE-UHFFFAOYSA-N |
Chemical Property Profile of 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride
Property Insights of 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride
The XLogP value of 4.7363 indicates that 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride. Following Lipinski's Rule of Five, 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride?
The CAS number of 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride is 134580-01-1.
What is the molecular formula of 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride?
The molecular formula of 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride is C17H16Cl2N4OS2.
What is the molecular weight of 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride?
The molecular weight of 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride is 426.01425 g/mol.
Where can I buy 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride?
You can request a quote for 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride?
Yes, CoreyChem provides custom synthesis services for 2-Propanone, 1,3-bis(1H-benzimidazol-2-ylthio)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.